new BindingDB logo
myBDB logout

BDBM76173 1-(3,5-Dimethyl-phenyl)-3-(9-thiophen-2-ylmethyl-9-aza-bicyclo[3.3.1]non-3-yl)-thiourea::1-(3,5-dimethylphenyl)-3-[9-(2-thenyl)-9-azabicyclo[3.3.1]nonan-3-yl]thiourea::1-(3,5-dimethylphenyl)-3-[9-(thiophen-2-ylmethyl)-9-azabicyclo[3.3.1]nonan-3-yl]thiourea::MLS000549793::SMR000173334::cid_3218185

SMILES: [H]C12CCCC([H])(CC(C1)NC(=S)Nc1cc(C)cc(C)c1)N2Cc1cccs1

InChI Key: InChIKey=LTJWZEHNLIVCEG-UHFFFAOYSA-N

Data: 4 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 76173   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM76173
PNG
(1-(3,5-Dimethyl-phenyl)-3-(9-thiophen-2-ylmethyl-9...)
Show SMILES Cc1cc(C)cc(NC(=S)NC2CC3CCCC(C2)N3Cc2cccs2)c1
Show InChI InChI=1S/C22H29N3S2/c1-15-9-16(2)11-17(10-15)23-22(26)24-18-12-19-5-3-6-20(13-18)25(19)14-21-7-4-8-27-21/h4,7-11,18-20H,3,5-6,12-14H2,1-2H3,(H2,23,24,26)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 4.06E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego, CA...


Citation and Details
More data for this
Ligand-Target Pair
Alpi


(Rattus norvegicus (Rat))
BDBM76173
PNG
(1-(3,5-Dimethyl-phenyl)-3-(9-thiophen-2-ylmethyl-9...)
Show SMILES Cc1cc(C)cc(NC(=S)NC2CC3CCCC(C2)N3Cc2cccs2)c1
Show InChI InChI=1S/C22H29N3S2/c1-15-9-16(2)11-17(10-15)23-22(26)24-18-12-19-5-3-6-20(13-18)25(19)14-21-7-4-8-27-21/h4,7-11,18-20H,3,5-6,12-14H2,1-2H3,(H2,23,24,26)
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PCBioAssay
n/an/a 2.17E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens)
BDBM76173
PNG
(1-(3,5-Dimethyl-phenyl)-3-(9-thiophen-2-ylmethyl-9...)
Show SMILES Cc1cc(C)cc(NC(=S)NC2CC3CCCC(C2)N3Cc2cccs2)c1
Show InChI InChI=1S/C22H29N3S2/c1-15-9-16(2)11-17(10-15)23-22(26)24-18-12-19-5-3-6-20(13-18)25(19)14-21-7-4-8-27-21/h4,7-11,18-20H,3,5-6,12-14H2,1-2H3,(H2,23,24,26)
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.29E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


Citation and Details
More data for this
Ligand-Target Pair
Alkaline phosphatase placental-like


(Homo sapiens)
BDBM76173
PNG
(1-(3,5-Dimethyl-phenyl)-3-(9-thiophen-2-ylmethyl-9...)
Show SMILES Cc1cc(C)cc(NC(=S)NC2CC3CCCC(C2)N3Cc2cccs2)c1
Show InChI InChI=1S/C22H29N3S2/c1-15-9-16(2)11-17(10-15)23-22(26)24-18-12-19-5-3-6-20(13-18)25(19)14-21-7-4-8-27-21/h4,7-11,18-20H,3,5-6,12-14H2,1-2H3,(H2,23,24,26)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 4.20E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


Citation and Details
More data for this
Ligand-Target Pair